SCHEMBL11437770

SCHEMBL11437770

CC(=O)OC1CCCC1N(C(=O)CCBr)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SLC18A3 Q16572 2/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ OPRM1 P35372 4/20 0.35
▸ OPRD1 P41143 4/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11448317 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11437542 0.80 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11446742 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11437571 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11338362 0.78 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11434873 0.77 CHRM2 (0.42) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11454746 0.76 SIGMAR1 (0.51) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11331578 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11546924 0.75 MEN1 (0.47) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11446905 0.73 MEN1 (0.38) ALDH1A1MEN1KMT2AKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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